6-[2-(4-aminophenyl)-1-oxidanyl-2-oxidanylidene-ethyl]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-[2-(4-aminophenyl)-1-oxidanyl-2-oxidanylidene-ethyl]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[2-(4-aminophenyl)-1-hydroxy-2-oxo-ethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[2-(4-aminophenyl)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[2-(4-aminophenyl)-1-hydroxy-2-oxoethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[2-(4-aminophenyl)-1-hydroxy-2-keto-ethyl]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)C(C(=O)C3=CC=C(C=C3)N)O)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)C(C(=O)C3=CC=C(C=C3)N)O)C(=O)O)C

InChI

InChI=1S/C16H18N2O5S/c1-16(2)12(15(22)23)18-13(21)9(14(18)24-16)11(20)10(19)7-3-5-8(17)6-4-7/h3-6,9,11-12,14,20H,17H2,1-2H3,(H,22,23)